Simulations: the dark side

Daan Frenkel

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arXiv · 1211.4440

Simulations: the dark side

Daan Frenkel

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Abstract

This paper discusses the Monte Carlo and Molecular Dynamics methods. Both methods are, in principle, simple. However, simple does not mean risk-free. In the literature, many of the pitfalls in the field are mentioned, but usually as a footnote - and these footnotes are scattered over many papers. The present paper focuses on the `dark side' of simulation: it is one big footnote. I should stress that `dark', in this context, has no negative moral implication. It just means: under-exposed.

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Daan Frenkel. 2012-11-19. Simulations: the dark side. https://arxiv.org/abs/1211.4440

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